N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine
TL;DR: N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine (CAS 40576-73-6) is a chemical compound with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine
Also Known As: N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine, Benzenesulfenamide, 3-nitro-N-(phenylmethylene)-, (E)-N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine
| Molecular Formula | C13H10N2O2S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.0463 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 40576-73-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NSC2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | NMCJQEYNAYHPBM-UHFFFAOYSA-N |
Product Overview
N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine (CAS 40576-73-6), with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol. IUPAC: N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine.
Chemical Property Profile of N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine
Property Insights of N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine
The XLogP value of 3.5 indicates that N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine. Following Lipinski's Rule of Five, N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine?
The CAS number of N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine is 40576-73-6.
What is the molecular formula of N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine?
The molecular formula of N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine is C13H10N2O2S.
What is the molecular weight of N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine?
The molecular weight of N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine is 258.05 g/mol.
Where can I buy N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine?
You can request a quote for N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-nitrophenyl)sulfanyl-1-phenylmethanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.